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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Mar-2026 | aldol_anion_second_TS64 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.720878241678; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS65 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.724150714019; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS67 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.728596715898; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS69 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.720277695309; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS62 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.731403795131; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS66 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.725030303829; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS68 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.721497808342; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS136 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.719612818655; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS131 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.722259357040; Eh | - | - | |
| 6-Mar-2026 | aldol_anion_second_TS130 | Matsutani, Satoshi | GRRM; 23 | Saddle | wB97XD | def2svpp | -738.722169691416; Eh | - | - |
Results 391291-391300 of 402241 (Search time: 0.213 seconds).
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Subject
- 12577 Density functional calculations
- 6967 Radicals
- 6799 Ab initio calculations
- 6766 Aromaticity
- 6643 Magnetic properties
- 6348 Electric Field
- 6348 Magnetoelectricity
- 4188 2D Covalent Organic Frameworks
- 3761 BF3 Solvation
- 3145 Homogeneous catalysis
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